Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM394245' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394245
(US9975882, Example 36)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)| Show InChI InChI=1S/C26H27F2N7O2/c1-2-4-20(36)33-8-7-26(15-33)10-19(11-26)35-24(29)21(25(30)37)22(32-35)18-12-31-34(14-18)13-16-5-3-6-17(9-16)23(27)28/h3,5-6,9,12,14,19,23H,7-8,10-11,13,15,29H2,1H3,(H2,30,37)/t19-,26- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kalmar
| Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k... |
J Med Chem 52: 2708-15 (2009)
BindingDB Entry DOI: 10.7270/Q2BP0531 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM394245
(US9975882, Example 36)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)| Show InChI InChI=1S/C26H27F2N7O2/c1-2-4-20(36)33-8-7-26(15-33)10-19(11-26)35-24(29)21(25(30)37)22(32-35)18-12-31-34(14-18)13-16-5-3-6-17(9-16)23(27)28/h3,5-6,9,12,14,19,23H,7-8,10-11,13,15,29H2,1H3,(H2,30,37)/t19-,26- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kalmar
| Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k... |
J Med Chem 52: 2708-15 (2009)
BindingDB Entry DOI: 10.7270/Q2BP0531 |
More data for this
Ligand-Target Pair | |
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